[1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol

C14H27NO — CID 104583350

IUPAC[1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol
SMILESC=CCCC(C)NCC1(CO)CCCCC1
InChIInChI=1S/C14H27NO/c1-3-4-8-13(2)15-11-14(12-16)9-6-5-7-10-14/h3,13,15-16H,1,4-12H2,2H3
InChIKeyBDDRJSACJSUJBZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.87
Rot. Bonds7

About [1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol

[1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol (PubChem CID 104583350) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol
PubChem CID104583350
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol
SMILESC=CCCC(C)NCC1(CO)CCCCC1
InChIInChI=1S/C14H27NO/c1-3-4-8-13(2)15-11-14(12-16)9-6-5-7-10-14/h3,13,15-16H,1,4-12H2,2H3
InChIKeyBDDRJSACJSUJBZ-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol (CID 104583350) is [1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol is C=CCCC(C)NCC1(CO)CCCCC1.
What is the InChIKey of [1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol?
The InChIKey is BDDRJSACJSUJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-8-13(2)15-11-14(12-16)9-6-5-7-10-14/h3,13,15-16H,1,4-12H2,2H3.
What are the key properties of [1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol?
[1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(hex-5-en-2-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 104583350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).